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139674-82-1 | Phenol, 4-(2-decyl-5-thiazolyl)-
CAS No: 139674-82-1 Catalog No: AG001BHZ MDL No:
Product Description
Catalog Number:
AG001BHZ
Chemical Name:
Phenol, 4-(2-decyl-5-thiazolyl)-
CAS Number:
139674-82-1
Molecular Formula:
C19H27NOS
Molecular Weight:
317.4888
IUPAC Name:
4-(2-decyl-1,3-thiazol-5-yl)phenol
InChI:
InChI=1S/C19H27NOS/c1-2-3-4-5-6-7-8-9-10-19-20-15-18(22-19)16-11-13-17(21)14-12-16/h11-15,21H,2-10H2,1H3
InChI Key:
QCOKMZIPNCCTPZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1ncc(s1)c1ccc(cc1)O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.181g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.491g/mol
Monoisotopic Mass:
317.181g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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